General Information of the Compound
| Compound ID |
CP0248629
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Ozanimod
Show/Hide
|
||||||||||||||||||
| Synonyms |
(S)-5-(3-(1-((2-hydroxyethyl)amino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile
1306760-87-1
5-[3-[(1S)-1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
AC-29883
AKOS026674086
Benzonitrile, 5-(3-((1
CHEMBL3707247
CS-5070
DB12612
EX-A1316
GTPL8709
HY-12288
Ozanimod
Ozanimod (RPC1063)
Ozanimod (USAN/INN)
Ozanimod [USAN:INN]
SCHEMBL2195490
UNII-Z80293URPV
Z80293URPV
ZINC116109867
s7952
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24N4O3
|
||||||||||||||||||
| Molecular Weight |
404.47
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1cccc2[C@H](CCc12)NCCO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24N4O3/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XRVDGNKRPOAQTN-FQEVSTJZSA-N
|
||||||||||||||||||
| CAS |
1306760-87-1
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
| DrugBank ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01837, Sphingosine 1-phosphate receptor 2
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3
Protein ID: PT01779, Sphingosine 1-phosphate receptor 4
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5
Clinical Information about the Compound